![CAS 2095596-11-3 (3S)-N,N-Dimethyl-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-3-pyrroldinamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2095596-11-3.png)
CAS RN: 2095596-11-3
(3S)-N,N-Dimethyl-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-3-pyrroldinamine
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250610 | 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2095596-11-3
- Purity/Analytical Methods: >99.0%
2095596-11-3 / (3S)-N,N-dimethyl-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine
Basic Information
CAS
2095596-11-3
Multi CAS
No
Molecular Formula
C18H21N5
Molecular Weight
307.400000
Exact Mass
307.179696
SMILES
CN(C)[C@H]1CCN(C1)C2=CC(=NC3=CC=NN32)C4=CC=CC=C4
InChI
InChI=1S/C18H21N5/c1-21(2)15-9-11-22(13-15)18-12-16(14-6-4-3-5-7-14)20-17-8-10-19-23(17)18/h3-8,10,12,15H,9,11,13H2,1-2H3/t15-/m0/s1
InChIKey
XKBSPAZCFAIBJL-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
92.73
TPSA
36.67
LogP / Solubility
WLOGP
2.54
MLOGP
2.25
XLogP3
2.7
Consensus LogP
2.5
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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